CID 6484551

79932-64-2

Structural Information

Molecular Formula
C8H6N2O3S
SMILES
CC1=CSC2=NC=C(C(=O)N12)C(=O)O
InChI
InChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)
InChIKey
SLUJXUKOGZUFLT-UHFFFAOYSA-N
Compound name
3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.00992 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01720 141.9
[M+Na]+ 232.99914 154.7
[M+NH4]+ 228.04374 149.2
[M+K]+ 248.97308 149.8
[M-H]- 209.00264 141.7
[M+Na-2H]- 230.98459 146.1
[M]+ 210.00937 143.9
[M]- 210.01047 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.